5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-[bis(propargyloxy)]-2,8,14,2'-tetrathiacalix[4]arene | 1309130-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-[bis(propargyloxy)]-2,8,14,2'-tetrathiacalix[4]arene
• CAS: 1309130-60-6
• 化学式: C₆₀H₆₄O₄S₄
• 分子量: 977.43
• InChiKey: CSFOGOYNNABGKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.98
• 重原子数：
  68.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-[bis(propargyloxy)]-2,8,14,2'-tetrathiacalix[4]arene 、 9-(azidomethyl)anthracene 在 copper(l) iodide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 15.0h， 以74%的产率得到C₉₀H₈₆N₆O₄S₄
  参考文献：
  名称：

  稀有且独家的过氧化物过氧化物产物，其衍生自带有9,10取代的蒽部分的Thiacalix [4] arene冠状衍生物。

  摘要：

  在λ = 365 nm照射时，从硫杂杯[4]芳烃冠状衍生物中定量获得了稀有且独家的过氧化物过氧化物产物；通过1 H / 13 C NMR光谱学和X射线晶体学明确证实了该结构。还讨论了形成内过氧化物光产物的前提条件。此外，在硫杂杯[4]芳烃平台的存在下，光化学反应速率可以大大提高，因为它可以作为捕获氧气的主体。

  DOI：

  10.1002/asia.201600202
• 作为产物：
  描述：

  3-溴丙炔 、 25,27-dibenzyloxy-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiacalix[4]arene-26,28-diol 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 反应 21.0h， 以81%的产率得到5,11,17,23-tetra-tert-butyl-25,27-dibenzyloxy-26,28-[bis(propargyloxy)]-2,8,14,2'-tetrathiacalix[4]arene
  参考文献：
  名称：

  Synthesis and evaluation of a novel pyrenyl-appended triazole-based thiacalix[4]arene as a fluorescent sensor for Ag+ ion

  摘要：

  New fluorescent chemosensors 1,3-alternate-1 and 2 with pyrenyl-appended triazole-based on thiacalix[4]arene were synthesized. The fluorescence spectra changes suggested that chemosensors 1 and 2 are highly selective for Ag+ over other metal ions by enhancing the monomer emission of pyrene in neutral solution. However, other heavy metal ions, such as Cu2+, and Hg2+ quench both the monomer and excimer emission of pyrene acutely. The H-1 NMR results indicated that Ag+ can be selectively recognized by the triazole moieties on the receptors 1 and 2 together with the ionophoricity cavity formed by the two inverted benzene rings and sulfur atoms of the thiacalix[4]arene. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.008

文献信息

• Synthesis, crystal structure and complexation behaviour of a thiacalix[4]arene bearing 1,2,3-triazole groups
  作者：Xin-Long Ni、Xi Zeng、David L. Hughes、Carl Redshaw、Takehiko Yamato

  DOI：10.1080/10610278.2011.601603

  日期：2011.10.1

  The structure and complexation behaviour of 1,3-alternate-1,2,3-triazole based on thiacalix[4]arene, 1,3-alternate-1 and 2 have been determined by means of X-ray analysis, fluorescence and (1)H NMR spectroscopy. The X-ray results suggested that the nitrogen atom N3 on triazole ring can act as hydrogen bond acceptors in the self-assembly of a supramolecular structure. The fluorescence spectra changes indicated that the thiacalix[4]arene bearing 1,2,3-triazole groups were highly selective for Ag(+) in comparison with other tested metal ions by enhancement of the monomer emission of pyrene. The (1)H NMR results suggested that Ag(+) can be strongly bonded by the triazole groups with the cooperation of the ionophoric cavity formed by the two inverted benzene rings and the sulfur atoms of the thiacalix[4]arene.